2-dimethylaminoethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium

Systemtic Name: 2-dimethylaminoethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Openeye Name: 2-dimethylaminoethyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: 2-dimethylaminoethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ammonium IUPAC Name: 2-dimethylaminoethyl-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Traditional Name: 3-(4-cumylphenoxy)propyl-(2-dimethylaminoethyl)ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH2+]CCN(C)C

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCC[NH2+]CCN(C)C

InChI

InChI=1S/C22H32N2O/c1-22(2,19-9-6-5-7-10-19)20-11-13-21(14-12-20)25-18-8-15-23-16-17-24(3)4/h5-7,9-14,23H,8,15-18H2,1-4H3/p+1